chempirical

Diantipyrylmethane

C23H24N4O2CAS 1251-85-0388.47 g/mol

Open in Covalent MOL file
NNOONN

Properties

Molecular formula
C23H24N4O2
Molar mass
388.47 g/mol
Exact mass
388.1899 Da
Melting point
178–179 °C
logP
2.87Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
1251-85-0
SMILES
Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C
InChIKey
QATHNKNPUVVKHK-UHFFFAOYSA-N
InChI
InChI=1S/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3

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Names and synonyms

7 names
  • 3H-Pyrazol-3-one, 4,4′-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
  • Antipyrine, 4,4′-methylenedi-
  • 4,4′-Methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one]
  • Diantipyrinylmethane
  • Bisantipyrylmethane
  • 4,4′-Diantipyrylmethane
  • NSC 60670

Work with Diantipyrylmethane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ampyrone83-07-865 % similar 4-Iodoantipyrine129-81-763 % similar 4-Aminoantipyrine hydrochloride22198-72-760 % similar Propyphenazone479-92-560 % similar Aminopyrine58-15-160 % similar 4-Formylantipyrine950-81-260 % similar Ramifenazone3615-24-556 % similar Isopyrine hydrochloride18342-39-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook